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Substance Name: Taurospongin A
RN: 185138-92-5
InChIKey: AZFATTXUNCCDPX-VNXOMAOHSA-N

Molecular Formula

  • C40-H71-N-O9-S

Molecular Weight

  • 742.0649
 
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Names and Synonyms

Name of Substance

  • Taurospongin A

Synonym

  • ( )-Taurospongin

Systematic Name

  • 8-Pentacosen-4-ynoic acid, (1R,3S,7R)-3-(acetyloxy)-7-hydroxy-1,7-dimethyl-9-oxo-9-((2-sulfoethyl)amino)nonyl ester, (8Z)

Registry Numbers

CAS Registry Number

  • 185138-92-5

System Generated Number

  • 0185138925

Structure Descriptors

InChI

1S/C40H71NO9S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-39(44)49-35(2)33-37(50-36(3)42)28-27-30-40(4,45)34-38(43)41-31-32-51(46,47)48/h21-22,35,37,45H,5-20,23-24,27-34H2,1-4H3,(H,41,43)(H,46,47,48)/b22-21+/t35-,37+,40-/m0/s1

InChIKey

AZFATTXUNCCDPX-VNXOMAOHSA-N

Smiles

CCCCCCCCCCCCCCCCC/C=C/CCC#CCC(=O)O[C@@H](C)C[C@@H](CCC[C@@](C)(CC(=O)NCCS(=O)(=O)O)O)OC(=O)C